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24 similar compounds to monomer 27817

Compile data set for download or QSAR
Wt: 532.5
BDBM27809
Wt: 574.6
BDBM27810
Wt: 615.7
BDBM27811
Wt: 504.5
BDBM27812
Wt: 532.5
BDBM27814
Wt: 572.6
BDBM27815
Wt: 506.5
BDBM27793
Wt: 520.5
BDBM27795
Wt: 475.4
BDBM27796
Wt: 490.4
BDBM27797
Wt: 504.5
BDBM27798
Wt: 518.5
BDBM27799
Wt: 532.5
BDBM27800
Wt: 534.5
BDBM27801
Wt: 546.5
BDBM27802
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 27809,27810,27811,27812,27814,27815,27793,27795,27796,27797,27798,27799,27800,27801,27802   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27793
PNG
(2-{[2-({5-[2-(dimethylamino)acetamido]-2-methoxy-4...)
Show SMILES COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C25H27FN8O3/c1-13-10-19(37-4)18(11-17(13)29-20(35)12-34(2)3)31-25-32-23-14(8-9-28-23)24(33-25)30-16-7-5-6-15(26)21(16)22(27)36/h5-11H,12H2,1-4H3,(H2,27,36)(H,29,35)(H3,28,30,31,32,33)
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n/an/a 0.5n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27799
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H27FN8O3/c1-34(2)13-21(36)35-10-8-14-11-20(38-3)18(12-19(14)35)31-26-32-24-15(7-9-29-24)25(33-26)30-17-6-4-5-16(27)22(17)23(28)37/h4-7,9,11-12H,8,10,13H2,1-3H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27796
PNG
(2-({2-[(1-acetyl-5-methoxy-2,3-dihydro-1H-indol-6-...)
Show SMILES COc1cc2CCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H22FN7O3/c1-12(33)32-9-7-13-10-19(35-2)17(11-18(13)32)29-24-30-22-14(6-8-27-22)23(31-24)28-16-5-3-4-15(25)20(16)21(26)34/h3-6,8,10-11H,7,9H2,1-2H3,(H2,26,34)(H3,27,28,29,30,31)
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n/an/a 6n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27797
PNG
(2-[(2-{[1-(2-aminoacetyl)-5-methoxy-2,3-dihydro-1H...)
Show SMILES COc1cc2CCN(C(=O)CN)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H23FN8O3/c1-36-18-9-12-6-8-33(19(34)11-26)17(12)10-16(18)30-24-31-22-13(5-7-28-22)23(32-24)29-15-4-2-3-14(25)20(15)21(27)35/h2-5,7,9-10H,6,8,11,26H2,1H3,(H2,27,35)(H3,28,29,30,31,32)
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n/an/a 4n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27798
PNG
(2-fluoro-6-{[2-({5-methoxy-1-[2-(methylamino)acety...)
Show SMILES CNCC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C25H25FN8O3/c1-28-12-20(35)34-9-7-13-10-19(37-2)17(11-18(13)34)31-25-32-23-14(6-8-29-23)24(33-25)30-16-5-3-4-15(26)21(16)22(27)36/h3-6,8,10-11,28H,7,9,12H2,1-2H3,(H2,27,36)(H3,29,30,31,32,33)
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n/an/a 2n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27799
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H27FN8O3/c1-34(2)13-21(36)35-10-8-14-11-20(38-3)18(12-19(14)35)31-26-32-24-15(7-9-29-24)25(33-26)30-17-6-4-5-16(27)22(17)23(28)37/h4-7,9,11-12H,8,10,13H2,1-3H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 1n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27800
PNG
(2-({2-[(1-{2-[ethyl(methyl)amino]acetyl}-5-methoxy...)
Show SMILES CCN(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C27H29FN8O3/c1-4-35(2)14-22(37)36-11-9-15-12-21(39-3)19(13-20(15)36)32-27-33-25-16(8-10-30-25)26(34-27)31-18-7-5-6-17(28)23(18)24(29)38/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 3n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27801
PNG
(2-fluoro-6-({2-[(5-methoxy-1-{2-[methoxy(methyl)am...)
Show SMILES CON(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C26H27FN8O4/c1-34(39-3)13-21(36)35-10-8-14-11-20(38-2)18(12-19(14)35)31-26-32-24-15(7-9-29-24)25(33-26)30-17-6-4-5-16(27)22(17)23(28)37/h4-7,9,11-12H,8,10,13H2,1-3H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 50n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27802
PNG
(2-{[2-({1-[2-(diethylamino)acetyl]-5-methoxy-2,3-d...)
Show SMILES CCN(CC)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C28H31FN8O3/c1-4-36(5-2)15-23(38)37-12-10-16-13-22(40-3)20(14-21(16)37)33-28-34-26-17(9-11-31-26)27(35-28)32-19-8-6-7-18(29)24(19)25(30)39/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,30,39)(H3,31,32,33,34,35)
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n/an/a 2n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27809
PNG
(2-{[2-({1-[3-(dimethylamino)propanoyl]-5-methoxy-2...)
Show SMILES COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H29FN8O3/c1-35(2)11-9-22(37)36-12-8-15-13-21(39-3)19(14-20(15)36)32-27-33-25-16(7-10-30-25)26(34-27)31-18-6-4-5-17(28)23(18)24(29)38/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 8n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27810
PNG
(2-fluoro-6-{[2-({5-methoxy-1-[3-(morpholin-4-yl)pr...)
Show SMILES COc1cc2CCN(C(=O)CCN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C29H31FN8O4/c1-41-23-15-17-6-10-38(24(39)7-9-37-11-13-42-14-12-37)22(17)16-21(23)34-29-35-27-18(5-8-32-27)28(36-29)33-20-4-2-3-19(30)25(20)26(31)40/h2-5,8,15-16H,6-7,9-14H2,1H3,(H2,31,40)(H3,32,33,34,35,36)
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n/an/a 6n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27811
PNG
(2-fluoro-6-({2-[(5-methoxy-1-{3-[4-(propan-2-yl)pi...)
Show SMILES COc1cc2CCN(C(=O)CCN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C32H38FN9O3/c1-19(2)41-15-13-40(14-16-41)11-9-27(43)42-12-8-20-17-26(45-3)24(18-25(20)42)37-32-38-30-21(7-10-35-30)31(39-32)36-23-6-4-5-22(33)28(23)29(34)44/h4-7,10,17-19H,8-9,11-16H2,1-3H3,(H2,34,44)(H3,35,36,37,38,39)
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n/an/a 4n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27812
PNG
(2-{[2-({1-[2-(dimethylamino)ethyl]-5-methoxy-2,3-d...)
Show SMILES COc1cc2CCN(CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H29FN8O2/c1-34(2)11-12-35-10-8-15-13-21(37-3)19(14-20(15)35)31-26-32-24-16(7-9-29-24)25(33-26)30-18-6-4-5-17(27)22(18)23(28)36/h4-7,9,13-14H,8,10-12H2,1-3H3,(H2,28,36)(H3,29,30,31,32,33)
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n/an/a 40n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27814
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-6-methoxy-1,2,...)
Show SMILES COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H29FN8O3/c1-35(2)14-22(37)36-11-5-6-15-12-21(39-3)19(13-20(15)36)32-27-33-25-16(9-10-30-25)26(34-27)31-18-8-4-7-17(28)23(18)24(29)38/h4,7-10,12-13H,5-6,11,14H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 1n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27815
PNG
(2-fluoro-6-{[2-({6-methoxy-1-[2-(piperidin-1-yl)ac...)
Show SMILES COc1cc2CCCN(C(=O)CN3CCCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C30H33FN8O3/c1-42-24-15-18-7-6-14-39(25(40)17-38-12-3-2-4-13-38)23(18)16-22(24)35-30-36-28-19(10-11-33-28)29(37-30)34-21-9-5-8-20(31)26(21)27(32)41/h5,8-11,15-16H,2-4,6-7,12-14,17H2,1H3,(H2,32,41)(H3,33,34,35,36,37)
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n/an/a 1n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27809
PNG
(2-{[2-({1-[3-(dimethylamino)propanoyl]-5-methoxy-2...)
Show SMILES COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H29FN8O3/c1-35(2)11-9-22(37)36-12-8-15-13-21(39-3)19(14-20(15)36)32-27-33-25-16(7-10-30-25)26(34-27)31-18-6-4-5-17(28)23(18)24(29)38/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 794n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27810
PNG
(2-fluoro-6-{[2-({5-methoxy-1-[3-(morpholin-4-yl)pr...)
Show SMILES COc1cc2CCN(C(=O)CCN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C29H31FN8O4/c1-41-23-15-17-6-10-38(24(39)7-9-37-11-13-42-14-12-37)22(17)16-21(23)34-29-35-27-18(5-8-32-27)28(36-29)33-20-4-2-3-19(30)25(20)26(31)40/h2-5,8,15-16H,6-7,9-14H2,1H3,(H2,31,40)(H3,32,33,34,35,36)
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n/an/a 251n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27811
PNG
(2-fluoro-6-({2-[(5-methoxy-1-{3-[4-(propan-2-yl)pi...)
Show SMILES COc1cc2CCN(C(=O)CCN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C32H38FN9O3/c1-19(2)41-15-13-40(14-16-41)11-9-27(43)42-12-8-20-17-26(45-3)24(18-25(20)42)37-32-38-30-21(7-10-35-30)31(39-32)36-23-6-4-5-22(33)28(23)29(34)44/h4-7,10,17-19H,8-9,11-16H2,1-3H3,(H2,34,44)(H3,35,36,37,38,39)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27812
PNG
(2-{[2-({1-[2-(dimethylamino)ethyl]-5-methoxy-2,3-d...)
Show SMILES COc1cc2CCN(CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H29FN8O2/c1-34(2)11-12-35-10-8-15-13-21(37-3)19(14-20(15)35)31-26-32-24-16(7-9-29-24)25(33-26)30-18-6-4-5-17(27)22(18)23(28)36/h4-7,9,13-14H,8,10-12H2,1-3H3,(H2,28,36)(H3,29,30,31,32,33)
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n/an/a 100n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27814
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-6-methoxy-1,2,...)
Show SMILES COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H29FN8O3/c1-35(2)14-22(37)36-11-5-6-15-12-21(39-3)19(13-20(15)36)32-27-33-25-16(9-10-30-25)26(34-27)31-18-8-4-7-17(28)23(18)24(29)38/h4,7-10,12-13H,5-6,11,14H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 6.31E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27815
PNG
(2-fluoro-6-{[2-({6-methoxy-1-[2-(piperidin-1-yl)ac...)
Show SMILES COc1cc2CCCN(C(=O)CN3CCCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C30H33FN8O3/c1-42-24-15-18-7-6-14-39(25(40)17-38-12-3-2-4-13-38)23(18)16-22(24)35-30-36-28-19(10-11-33-28)29(37-30)34-21-9-5-8-20(31)26(21)27(32)41/h5,8-11,15-16H,2-4,6-7,12-14,17H2,1H3,(H2,32,41)(H3,33,34,35,36,37)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27793
PNG
(2-{[2-({5-[2-(dimethylamino)acetamido]-2-methoxy-4...)
Show SMILES COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C25H27FN8O3/c1-13-10-19(37-4)18(11-17(13)29-20(35)12-34(2)3)31-25-32-23-14(8-9-28-23)24(33-25)30-16-7-5-6-15(26)21(16)22(27)36/h5-11H,12H2,1-4H3,(H2,27,36)(H,29,35)(H3,28,30,31,32,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27795
PNG
(2-{[2-({5-[2-(dimethylamino)-N-methylacetamido]-2-...)
Show SMILES COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C
Show InChI InChI=1S/C26H29FN8O3/c1-14-11-20(38-5)18(12-19(14)35(4)21(36)13-34(2)3)31-26-32-24-15(9-10-29-24)25(33-26)30-17-8-6-7-16(27)22(17)23(28)37/h6-12H,13H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 1.00E+4n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27796
PNG
(2-({2-[(1-acetyl-5-methoxy-2,3-dihydro-1H-indol-6-...)
Show SMILES COc1cc2CCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H22FN7O3/c1-12(33)32-9-7-13-10-19(35-2)17(11-18(13)32)29-24-30-22-14(6-8-27-22)23(31-24)28-16-5-3-4-15(25)20(16)21(26)34/h3-6,8,10-11H,7,9H2,1-2H3,(H2,26,34)(H3,27,28,29,30,31)
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n/an/a 126n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27797
PNG
(2-[(2-{[1-(2-aminoacetyl)-5-methoxy-2,3-dihydro-1H...)
Show SMILES COc1cc2CCN(C(=O)CN)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H23FN8O3/c1-36-18-9-12-6-8-33(19(34)11-26)17(12)10-16(18)30-24-31-22-13(5-7-28-22)23(32-24)29-15-4-2-3-14(25)20(15)21(27)35/h2-5,7,9-10H,6,8,11,26H2,1H3,(H2,27,35)(H3,28,29,30,31,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27798
PNG
(2-fluoro-6-{[2-({5-methoxy-1-[2-(methylamino)acety...)
Show SMILES CNCC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C25H25FN8O3/c1-28-12-20(35)34-9-7-13-10-19(37-2)17(11-18(13)34)31-25-32-23-14(6-8-29-23)24(33-25)30-16-5-3-4-15(26)21(16)22(27)36/h3-6,8,10-11,28H,7,9,12H2,1-2H3,(H2,27,36)(H3,29,30,31,32,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27799
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H27FN8O3/c1-34(2)13-21(36)35-10-8-14-11-20(38-3)18(12-19(14)35)31-26-32-24-15(7-9-29-24)25(33-26)30-17-6-4-5-16(27)22(17)23(28)37/h4-7,9,11-12H,8,10,13H2,1-3H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27800
PNG
(2-({2-[(1-{2-[ethyl(methyl)amino]acetyl}-5-methoxy...)
Show SMILES CCN(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C27H29FN8O3/c1-4-35(2)14-22(37)36-11-9-15-12-21(39-3)19(13-20(15)36)32-27-33-25-16(8-10-30-25)26(34-27)31-18-7-5-6-17(28)23(18)24(29)38/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27801
PNG
(2-fluoro-6-({2-[(5-methoxy-1-{2-[methoxy(methyl)am...)
Show SMILES CON(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C26H27FN8O4/c1-34(39-3)13-21(36)35-10-8-14-11-20(38-2)18(12-19(14)35)31-26-32-24-15(7-9-29-24)25(33-26)30-17-6-4-5-16(27)22(17)23(28)37/h4-7,9,11-12H,8,10,13H2,1-3H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 794n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27802
PNG
(2-{[2-({1-[2-(diethylamino)acetyl]-5-methoxy-2,3-d...)
Show SMILES CCN(CC)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C28H31FN8O3/c1-4-36(5-2)15-23(38)37-12-10-16-13-22(40-3)20(14-21(16)37)33-28-34-26-17(9-11-31-26)27(35-28)32-19-8-6-7-18(29)24(19)25(30)39/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,30,39)(H3,31,32,33,34,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27799
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H27FN8O3/c1-34(2)13-21(36)35-10-8-14-11-20(38-3)18(12-19(14)35)31-26-32-24-15(7-9-29-24)25(33-26)30-17-6-4-5-16(27)22(17)23(28)37/h4-7,9,11-12H,8,10,13H2,1-3H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 54n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R phosphorylation by cellular assay


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27795
PNG
(2-{[2-({5-[2-(dimethylamino)-N-methylacetamido]-2-...)
Show SMILES COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C
Show InChI InChI=1S/C26H29FN8O3/c1-14-11-20(38-5)18(12-19(14)35(4)21(36)13-34(2)3)31-26-32-24-15(9-10-29-24)25(33-26)30-17-8-6-7-16(27)22(17)23(28)37/h6-12H,13H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 63n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair